SCHEMBL9208431

SCHEMBL9208431

O=C(O)Nc1cccc(CCCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9204156 0.98 CYP4F2 (0.52) CYP4F2CYP4A11KMT2AMEN1NPC1
SCHEMBL4337810 0.88 TRPV1 (0.53) CYP4F2CYP4A11NPC1RAB9APOLB
SCHEMBL5281907 0.86 CYP4F2 (0.52) CYP4F2CYP4A11KMT2AMEN1NPC1
SCHEMBL10762816 0.84 S1PR1 (0.58) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL9114890 0.82 NPSR1 (0.54) CYP4F2CYP4A11KMT2AMEN1NPC1
SCHEMBL1028484 0.81 PDK1 (0.56) NPC1RAB9AMAPTGAALMNA
SCHEMBL8419389 0.81 AOC3 (0.56) CYP4F2CYP4A11KMT2AMEN1NPC1
SCHEMBL16246034 0.80 MAPT (0.54) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL13735094 0.80 MAPT (0.50) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4752320 0.80 HTR6 (0.55) MAPTGAAGFERITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed